Large-Scale Variational Two-Electron Reduced-Density-Matrix-Driven Complete Active Space Self-Consistent Field Methods
Author:
Affiliation:
1. Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida 32306-4390, United States
2. Department of Chemistry and Biochemistry, Gonzaga University, Spokane, Washington 99258-0089, United States
Funder
American Chemical Society Petroleum Research Fund
Oak Ridge Associated Universities
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00190
Reference110 articles.
1. A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach
2. A Comparison of the Super-CI and the Newton-Raphson Scheme in the Complete Active Space SCF Method
3. The complete active space SCF (CASSCF) method in a Newton–Raphson formulation with application to the HNO molecule
4. Roos, B. O.Advances in Chemical Physics;John Wiley & Sons, Inc.: 1987; Vol.68, pp399–445.
5. Density matrix formulation for quantum renormalization groups
Cited by 111 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Effect of Oriented External Electric Fields on the Electronic Properties of Linear Acenes: A Thermally Assisted Occupation DFT Study;Molecules;2024-09-06
2. Reduced Density Matrix Formulation of Quantum Linear Response;Journal of Chemical Theory and Computation;2024-08-06
3. Lower Bounds on Ground-State Energies of Local Hamiltonians through the Renormalization Group;Physical Review X;2024-04-09
4. Cavity Quantum Electrodynamics Complete Active Space Configuration Interaction Theory;Journal of Chemical Theory and Computation;2024-01-30
5. Electronic Properties of Graphene Nano-Parallelograms: A Thermally Assisted Occupation DFT Computational Study;Molecules;2024-01-10
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3